CID 3065137

106939-23-5

Structural Information

Molecular Formula
C19H31N5O3
SMILES
CCCCCCCCCN1C2=C(N=C1N3CCOCC3)N(C(=O)NC2=O)C
InChI
InChI=1S/C19H31N5O3/c1-3-4-5-6-7-8-9-10-24-15-16(22(2)19(26)21-17(15)25)20-18(24)23-11-13-27-14-12-23/h3-14H2,1-2H3,(H,21,25,26)
InChIKey
YCZBVQMWQFKDCG-UHFFFAOYSA-N
Compound name
3-methyl-8-morpholin-4-yl-7-nonylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

377.24268 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.24996 196.1
[M+Na]+ 400.23190 204.2
[M-H]- 376.23540 196.1
[M+NH4]+ 395.27650 202.4
[M+K]+ 416.20584 198.3
[M+H-H2O]+ 360.23994 184.9
[M+HCOO]- 422.24088 207.9
[M+CH3COO]- 436.25653 217.5
[M+Na-2H]- 398.21735 195.3
[M]+ 377.24213 199.4
[M]- 377.24323 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.